SCHEMBL2901990

SCHEMBL2901990

N#CC(C#N)=COCc1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
GAA P10253 2/20 0.39
CYP2D6 P10635 1/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
TDP1 Q9NUW8 3/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 4/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29219903 0.71
SCHEMBL14877067 0.71
SCHEMBL2135152 0.71
SCHEMBL766361 0.71
SCHEMBL27339550 0.71
SCHEMBL22306362 0.70 LMNA (0.43) ALDH1A1GAATDP1LMNAPOLB
SCHEMBL11749020 0.69 ALDH1A1 (0.57) ALDH1A1GAACYP2D6SLC1A3SLC1A2
SCHEMBL11820582 0.68 ALDH1A1 (0.49) ALDH1A1GAACYP2D6SLC1A3SLC1A2
SCHEMBL5483670 0.68
SCHEMBL9463645 0.68

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1975256-B1 Modified oligonucleotides for mismatch discrimination EPOCH BIOSCIENCES INC (US) 2012-07-11 EP disclosed
EP-1261616-B1 MODIFIED OLIGONUCLEOTIDES FOR MISMATCH DISCRIMINATION EPOCH BIOSCIENCES INC (US) 2010-08-18 EP disclosed
US-7751982-B2 TM leveling methods ELITECH HOLDING B.V. (NL) 2010-07-06 US disclosed
US-7715989-B2 Systems and methods for predicting oligonucleotide melting temperature (TmS) ELITECH HOLDING B.V. (NL) 2010-05-11 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
EP-1995330-A1 Modified oligonucleotides for mismatch discrimination Epoch Biosciences, Inc. (US) 2008-11-26 EP disclosed
EP-1975256-A1 Modified oligonucleotides for mismatch discrimination Epoch Biosciences, Inc. (US) 2008-10-01 EP disclosed
EP-1944310-A2 Modified oligonucleotides for mismatch discrimination Epoch Biosciences, Inc. (US) 2008-07-16 EP disclosed
US-7368549-B2 Tm leveling compositions EPOCH BIOSCIENCES, INC. (US) 2008-05-06 US disclosed
US-7045610-B2 Modified oligonucleotides for mismatch discrimination EPOCH BIOSCIENCES, INC. (US) 2006-05-16 US disclosed
US-20060009628-A1 MODIFIED OLIGONUCLEOTIDES FOR MISMATCH DISCRIMINATION ELITECHGROUP, INC. 2006-01-12 US disclosed
US-20060003349-A1 Tm leveling compositions EPOCH BIOSCIENCES, INC. (US) 2006-01-05 US disclosed
US-20050277773-A1 Pyrrolopyrimidine derivatives TEIJIN LIMITED (JP) 2005-12-15 US disclosed
US-6949367-B1 Modified oligonucleotides for mismatch discrimination EPOCH PHARMACEUTICALS, INC. (US) 2005-09-27 US disclosed
CN-1633436-A Pyrrolopyrimidine derivatives TEIJIN LTD (JP) 2005-06-29 CN disclosed
US-20050075491-A1 TM leveling methods EPOCH BIOSCIENCES, INC. (US) 2005-04-07 US disclosed
EP-1477489-A1 PYRROLOPYRIMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2004-11-17 EP disclosed
US-6683173-B2 CONJUGATING OLIGONUCLEOTIDE WITH 3-SUBSTITUTED PYRAZOLO(3,4-D)PYRIMIDINES AND/OR 5-SUBSTITUTED PYRIMIDINE MINOR GROOVE BINDER EPOCH BIOSCIENCES, INC. 2004-01-27 US disclosed
US-20030235822-A1 Systems and methods for predicting oligonucleotide melting temperature (TmS) EPOCH BIOSCIENCES, INC. 2003-12-25 US disclosed
US-20030224359-A1 TMLEVELING METHODS EPOCH BIOSCIENCES, INC. 2003-12-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060003349-A1 Tm leveling compositions RNGTT, TYMS, NT5C3B ALDH1A1 4090/4885GAA 2953/4885CYP2D6 2257/4885
US-20050075491-A1 TM leveling methods RNGTT, TYMS, NT5C3B ALDH1A1 3411/4885GAA 2072/4885CYP2D6 1964/4885
US-20050277773-A1 Pyrrolopyrimidine derivatives GSK3B, GSK3A, GSKIP ALDH1A1 2709/4885GAA 2655/4885CYP2D6 1375/4885
US-20060009628-A1 MODIFIED OLIGONUCLEOTIDES FOR MISMATCH DISCRIMINATION MSH2, RNGTT, DCLRE1B ALDH1A1 2605/4885GAA 2535/4885CYP2D6 2482/4885
US-20030224359-A1 TMLEVELING METHODS PTBP3, RNGTT, DTYMK ALDH1A1 3283/4885GAA 3242/4885CYP2D6 1099/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.